SCHEMBL30017539

SCHEMBL30017539

Cc1cccc(C(C)(C)N)c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
CA2 P00918 2/20 0.33
CD44 P16070 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2A6 P11509 1/20 0.33
GAA P10253 1/20 0.33
TRPA1 O75762 1/20 0.33
ATM Q13315 1/20 0.33
PDK2 Q15119 2/20 0.33
PDK1 Q15118 1/20 0.33
PDK3 Q15120 1/20 0.33
PDK4 Q16654 1/20 0.33
KCNN4 O15554 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16579370 1.00 GABRA1 (0.42) GABRA1GABRB2CA2CD44CYP1A2
Hydrochloric Acid SCHEMBL23886264 0.98 GABRA1 (0.41) GABRA1GABRB2CA2CD44CYP1A2
Hydrochloric Acid SCHEMBL30017987 0.98 GABRA1 (0.41) GABRA1GABRB2CA2CD44CYP1A2
SCHEMBL9626847 0.82 GABRA1 (0.56) GABRA1GABRB2CA2CYP1A2CYP2A6
SCHEMBL16579377 0.80 PNMT (0.42) CA2CYP1A2CYP2A6PDK2PDK1
SCHEMBL28985428 0.80 GABRA1 (0.43) GABRA1GABRB2CA2CD44CYP1A2
SCHEMBL30017938 0.80 PNMT (0.42) CA2CYP1A2CYP2A6PDK2PDK1
SCHEMBL27417839 0.78 GABRA1 (0.42) GABRA1GABRB2CA2CYP1A2CYP2A6
Hydrochloric Acid SCHEMBL2098883 0.78 ALDH1A1 (0.44) CA2CYP1A2CYP2A6PDK2PDK1
Bromide SCHEMBL11848894 0.78 PNMT (0.41) CA2CYP1A2CYP2A6PDK2PDK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115380030-B N-heteroarylalkyl-2- (heterocyclyl and heterocyclylmethyl) acetamide derivatives as SSTR4 agonists 武田药品工业株式会社 2025-05-16 CN disclosed
EP-4126848-A1 N-HETEROARYLALKYL-2-(HETEROCYCLYL AND HETEROCYCLYLMETHYL) ACETAMIDE DERIVATIVES AS SSTR4 AGONISTS Takeda Pharmaceutical Company Limited (JP) 2023-02-08 EP disclosed
CN-115380030-A N-heteroarylalkyl-2- (heterocyclyl and heterocyclylmethyl) acetamide derivatives as SSTR4 agonists 武田药品工业株式会社 2022-11-22 CN disclosed